3-[(E)-icos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; (E)-N-methyloctadec-9-enamide; methyl sulfate

Systemtic Name: 3-[(E)-icos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; (E)-N-methyloctadec-9-enamide; methyl sulfate Openeye Name: (E)-N-methyloctadec-9-enamide; methyl sulfate; 3-[(E)-1-propylheptadec-8-enyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-[(E)-eicos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; (E)-N-methyl-9-octadecenamide; methyl sulfate IUPAC Name: 3-[(E)-icos-11-en-4-yl]-4,5-dihydro-1H-imidazol-3-ium; (E)-N-methyloctadec-9-enamide; methyl sulfate Traditional Name: (E)-N-methyloctadec-9-enamide; methyl sulfate; 1-[(E)-1-propylheptadec-8-enyl]-2-imidazolin-1-ium Formula: C43H85N3O5S MolecularWeight: 756.2171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC.CCCCCCCCC=CCCCCCCC(CCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC.CCCCCCCC/C=C/CCCCCCC(CCC)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H44N2.C19H37NO.CH4O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(18-4-2)25-21-20-24-22-25;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2;1-5-6(2,3)4/h11-12,22-23H,3-10,13-21H2,1-2H3;10-11H,3-9,12-18H2,1-2H3,(H,20,21);1H3,(H,2,3,4)/b12-11+;11-10+;